(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol

C12H16O4 — CID 70798995

IUPAC(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
SMILESCC1(c2ccccc2)O[C@H](CO)C(O)C1O
InChIInChI=1S/C12H16O4/c1-12(8-5-3-2-4-6-8)11(15)10(14)9(7-13)16-12/h2-6,9-11,13-15H,7H2,1H3/t9-,10?,11?,12?/m1/s1
InChIKeyDMBGVPUTECWHBT-QBWABLMJSA-N
MW224.26 g/mol
LogP0.01
Rot. Bonds2

About (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol

(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol (PubChem CID 70798995) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
PubChem CID70798995
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
SMILESCC1(c2ccccc2)O[C@H](CO)C(O)C1O
InChIInChI=1S/C12H16O4/c1-12(8-5-3-2-4-6-8)11(15)10(14)9(7-13)16-12/h2-6,9-11,13-15H,7H2,1H3/t9-,10?,11?,12?/m1/s1
InChIKeyDMBGVPUTECWHBT-QBWABLMJSA-N
XLogP0.01
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol?
The IUPAC name of (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol (CID 70798995) is (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol?
The canonical SMILES for (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol is CC1(c2ccccc2)O[C@H](CO)C(O)C1O.
What is the InChIKey of (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol?
The InChIKey is DMBGVPUTECWHBT-QBWABLMJSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(8-5-3-2-4-6-8)11(15)10(14)9(7-13)16-12/h2-6,9-11,13-15H,7H2,1H3/t9-,10?,11?,12?/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol?
(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol has a molecular weight of 224.26 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol is sourced from PubChem (CID 70798995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).